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CAS 22897-99-0 Ethyl 3-(Trifluoromethyl)phenoxyacetate molecular structure lightbox
CAS RN: 22897-99-0

Ethyl 3-(Trifluoromethyl)phenoxyacetate

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260623 1g In stock Inquiry
Batchno.20260524 250mg In stock Inquiry
Batchno.20260114 50mg In stock Inquiry
  • Product code: SSC-111438
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 22897-99-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

22897-99-0 / ethyl 2-[3-(trifluoromethyl)phenoxy]acetate

Standard CAS: 22897-99-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22897-99-0
Multi CAS
No
Molecular Formula
C11H11F3O3
Molecular Weight
248.200000
Exact Mass
248.066029
SMILES
CCOC(=O)COC1=CC=CC(=C1)C(F)(F)F
InChI
InChI=1S/C11H11F3O3/c1-2-16-10(15)7-17-9-5-3-4-8(6-9)11(12,13)14/h3-6H,2,7H2,1H3
InChIKey
LEKNNERDFCDITP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
53.57
TPSA
35.53

LogP / Solubility

WLOGP
2.65
MLOGP
2.34
XLogP3
3.1
Consensus LogP
2.7
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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